CID 13427165

1,2-bis(thiophen-2-yl)ethan-1-one

Structural Information

Molecular Formula
C10H8OS2
SMILES
C1=CSC(=C1)CC(=O)C2=CC=CS2
InChI
InChI=1S/C10H8OS2/c11-9(10-4-2-6-13-10)7-8-3-1-5-12-8/h1-6H,7H2
InChIKey
XVQFNXBESFIQOH-UHFFFAOYSA-N
Compound name
1,2-dithiophen-2-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

208.00166 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.00894 145.3
[M+Na]+ 230.99088 156.2
[M-H]- 206.99438 153.4
[M+NH4]+ 226.03548 168.8
[M+K]+ 246.96482 152.5
[M+H-H2O]+ 190.99892 140.5
[M+HCOO]- 252.99986 162.9
[M+CH3COO]- 267.01551 159.8
[M+Na-2H]- 228.97633 144.5
[M]+ 208.00111 150.0
[M]- 208.00221 150.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.